4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-phenethyl-piperazine-1-carbothioamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-21(20-16-27-18-8-4-5-9-19(18)28-20)24-12-14-25(15-13-24)22(29)23-11-10-17-6-2-1-3-7-17/h1-9,20H,10-16H2,(H,23,29)